4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol

C14H20FNO — CID 81343552

IUPAC4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC1CCc2c(F)cccc21
InChIInChI=1S/C14H20FNO/c1-10(7-8-17)9-16-14-6-5-11-12(14)3-2-4-13(11)15/h2-4,10,14,16-17H,5-9H2,1H3
InChIKeyUEOLUPPBTCGCOZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.42
Rot. Bonds5

About 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol

4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol (PubChem CID 81343552) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol
PubChem CID81343552
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC1CCc2c(F)cccc21
InChIInChI=1S/C14H20FNO/c1-10(7-8-17)9-16-14-6-5-11-12(14)3-2-4-13(11)15/h2-4,10,14,16-17H,5-9H2,1H3
InChIKeyUEOLUPPBTCGCOZ-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 102904112
1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 113260457
2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine
CID 103781629
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol
CID 81338280
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-3-ol
CID 113262785
1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 81296468
3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 66091347
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
3-[2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol
CID 103781950
[3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 103781789
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785152

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol (CID 81343552) is 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol is CC(CCO)CNC1CCc2c(F)cccc21.
What is the InChIKey of 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol?
The InChIKey is UEOLUPPBTCGCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(7-8-17)9-16-14-6-5-11-12(14)3-2-4-13(11)15/h2-4,10,14,16-17H,5-9H2,1H3.
What are the key properties of 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol?
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol has a molecular weight of 237.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 81343552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).